UCSF

ZINC43480265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 3.8 -10.41 3 4 0 61 308.74 4
Hi High (pH 8-9.5) 2.89 4.56 -46.24 2 4 -1 64 307.732 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )